UCSF

ZINC66166902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 39 Yes

Popular Name: BRD-K77139493-001-01-1 BRD-K77139493-001-01-1

Find On: PubMed — Wikipedia — Google

Other Names:

BRD-K77139493-001-02-9

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.38 11.06 -49.96 4 8 1 95 531.677 8 ↓
Hi High (pH 8-9.5) 4.38 9.12 -13.51 3 8 0 94 530.669 8 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.